%chk=000181127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181127

0 1
N 6.293171 0.353149 0.129386
C -1.246595 0.387587 0.009869
C 0.015755 -0.485160 0.000964
C -2.520419 -0.468141 -0.008586
C 1.289177 0.371087 0.019148
C -3.782655 0.404756 0.000286
C 2.551840 -0.501335 0.009588
C -5.056729 -0.450639 -0.018391
C 3.822430 0.357040 0.028536
C -6.318608 0.422381 -0.009045
C 5.084153 -0.521223 0.017878
C -7.594014 -0.431984 -0.027342
C -8.853234 0.431991 -0.017771
C 7.558859 -0.442693 0.047244
C 8.754897 0.494101 -0.115531
H -1.245595 1.041372 0.903390
H -1.238899 1.069705 -0.862044
H 0.007901 -1.166347 0.873723
H 0.014347 -1.139481 -0.891966
H -2.528435 -1.149756 0.863763
H -2.521631 -1.122172 -0.901764
H 1.290825 1.024330 0.913360
H 1.296201 1.054118 -0.852030
H -3.774811 1.086819 -0.871672
H -3.781770 1.058558 0.893720
H 2.549602 -1.155857 -0.883220
H 2.543886 -1.181438 0.883649
H -5.064571 -1.132665 0.853607
H -5.057898 -1.104187 -0.911931
H 3.827698 1.047697 -0.835875
H 3.834055 1.005169 0.928935
H -6.312337 1.104894 -0.880468
H -6.318758 1.076641 0.883835
H 5.077500 -1.202242 0.898114
H 5.093245 -1.168060 -0.885947
H -7.596238 -1.085500 -0.921579
H -7.602429 -1.114033 0.845311
H 6.279126 1.059564 -0.613789
H -9.757765 -0.186136 -0.030832
H -8.901344 1.065173 0.875432
H -8.895258 1.093694 -0.890347
H 7.550918 -1.192518 -0.774254
H 7.651098 -1.012211 1.000055
H 8.752950 1.003080 -1.085204
H 8.755026 1.271188 0.661811
H 9.698632 -0.055417 -0.030518


%chk=000181127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181127

0 1
N 6.395751 0.320598 0.005227
C -1.258382 0.372430 -0.009608
C 0.025999 -0.486914 -0.013530
C -2.556953 -0.465408 -0.010726
C 1.323889 0.351893 -0.010237
C -3.840932 0.394608 -0.005562
C 2.608074 -0.507713 -0.014456
C -5.140145 -0.442491 -0.006059
C 3.902870 0.335097 -0.004063
C -6.423831 0.418049 0.000000
C 5.181733 -0.524669 -0.002701
C -7.723502 -0.419202 -0.000611
C -9.000190 0.449458 0.005989
C 7.672375 -0.426566 0.020577
C 8.873435 0.534639 0.008433
H -1.251862 1.036236 0.880341
H -1.253913 1.041879 -0.895398
H 0.020907 -1.156818 0.871862
H 0.020377 -1.150132 -0.904018
H -2.561328 -1.135143 0.874825
H -2.564073 -1.128888 -0.900989
H 1.330065 1.014250 0.880496
H 1.328684 1.022341 -0.895285
H -3.836706 1.064367 -0.891112
H -3.833504 1.058199 0.884578
H 2.602488 -1.168822 -0.906454
H 2.600540 -1.178928 0.869839
H -5.144356 -1.112501 0.879345
H -5.148108 -1.105769 -0.896510
H 3.910242 1.002380 -0.892903
H 3.921264 0.995031 0.884960
H -6.421091 1.088310 -0.885228
H -6.417397 1.081221 0.890525
H 5.199755 -1.153704 0.910455
H 5.151107 -1.231511 -0.873270
H -7.729039 -1.081260 -0.890690
H -7.725049 -1.088752 0.883849
H 6.376118 1.005374 -0.765351
H -9.914981 -0.171611 0.005240
H -9.032415 1.098326 0.901730
H -9.036288 1.106237 -0.883819
H 7.761404 -1.145894 -0.834525
H 7.695943 -1.037079 0.945265
H 8.885117 1.146942 -0.914218
H 8.823048 1.220240 0.872361
H 9.826160 -0.023433 0.052924


